5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-amine

C14H10F3N3O — CID 141212276

IUPAC5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3ccccc3OC(F)(F)F)cc12
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)21-12-4-2-1-3-9(12)8-5-6-11-10(7-8)13(18)20-19-11/h1-7H,(H3,18,19,20)
InChIKeyMKHMHNMKJMLDDL-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.71
Rot. Bonds2

About 5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-amine

5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-amine (PubChem CID 141212276) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-amine
PubChem CID141212276
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3ccccc3OC(F)(F)F)cc12
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)21-12-4-2-1-3-9(12)8-5-6-11-10(7-8)13(18)20-19-11/h1-7H,(H3,18,19,20)
InChIKeyMKHMHNMKJMLDDL-UHFFFAOYSA-N
XLogP3.71
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-amine?
The IUPAC name of 5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-amine (CID 141212276) is 5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-amine.
What is the SMILES notation for 5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-amine?
The canonical SMILES for 5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-amine is Nc1n[nH]c2ccc(-c3ccccc3OC(F)(F)F)cc12.
What is the InChIKey of 5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-amine?
The InChIKey is MKHMHNMKJMLDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)21-12-4-2-1-3-9(12)8-5-6-11-10(7-8)13(18)20-19-11/h1-7H,(H3,18,19,20).
What are the key properties of 5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-amine?
5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-amine has a molecular weight of 293.25 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-amine is sourced from PubChem (CID 141212276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).